Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Hydroxymethyl-3-methyl-4-nitropyridine |
EINECS | N/A |
CAS No. | 168167-49-5 | Density | 1.35 g/cm3 |
PSA | 78.94000 | LogP | 1.31370 |
Solubility | N/A | Melting Point |
56-58 °C |
Formula | C7H8N2O3 | Boiling Point | 344.446 °C at 760 mmHg |
Molecular Weight | 168.152 | Flash Point | 162.115 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(Hydroxymethyl)-3-methyl-4-nitropyridine; |
Article Data | 2 |
The 2-Pyridinemethanol,3-methyl-4-nitro-, with CAS registry number 168167-49-5, belongs to the following product categories: (1)Hydroxymethyl's; (2)Pyridines. It has the systematic name of (3-methyl-4-nitropyridin-2-yl)methanol. And the chemical formula of this chemical is C7H8N2O3.
Physical properties of 2-Pyridinemethanol,3-methyl-4-nitro-: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 78.94 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 42.166 cm3; (13)Molar Volume: 124.59 cm3; (14)Polarizability: 16.716×10-24cm3; (15)Surface Tension: 60.93 dyne/cm; (16)Density: 1.35 g/cm3; (17)Flash Point: 162.115 °C; (18)Enthalpy of Vaporization: 62.099 kJ/mol; (19)Boiling Point: 344.446 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccnc(c1C)CO
(2)InChI: InChI=1/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
(3)InChIKey: YFYLOUJBRSOJSQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
(5)Std. InChIKey: YFYLOUJBRSOJSQ-UHFFFAOYSA-N